Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Sat Jun 27 14:46:11 PDT 2009
> > By the way, I have excessive_distance_limit = None. If I
> > change it to some number, how does it work? the violating residues will
> > be excluded or the whole molecule will?
> I'm not sure, Ralf knows this better. Ralf, could you comment on this
> My guess, that all this parameter does is it checks the distances
> between atoms in NCS copies and if there is a distance larger than
> excessive_distance_limit, then phenix.refine stops and tells you this.
Yes, that's correct. The distance check is just to alert you to the
problem; it is not trying to be smart about fixing it. You have to
do it yourself with the atom selection syntax ("and", "or", "not").
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